RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0000534
RefMet name	IMP
Systematic name	{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	348.047104 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H13N4O8P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37117 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18 ,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey	GRSZFWQUAKGDAV-KQYNXXCUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c2nc[nH]c3=O)O1)O)O)OP(=O)(O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine rNMP
Distribution of IMP in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting IMP
External Links
Pubchem CID	135398640
ChEBI ID	17202
KEGG ID	C00130
HMDB ID	HMDB0000175
Chemspider ID	8264
MetaCyc ID	IMP
EPA CompTox	DTXCID20197224
Spectral data for IMP standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving IMP

Rxn ID	KEGG Reaction	Enzyme
R00181	AMP + H2O <=> IMP + Ammonia	AMP aminohydrolase
R00720	ITP + H2O <=> IMP + Diphosphate	Inosine 5'-triphosphate pyrophosphohydrolase
R00961	IDP + H2O <=> IMP + Orthophosphate	IDP phosphohydrolase
R01126	IMP + H2O <=> Inosine + Orthophosphate	inosine 5'-monophosphate phosphohydrolase
R01127	IMP + H2O <=> 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide	IMP 1,2-hydrolase (decyclizing)
R01128	IMP + H2O <=> Hypoxanthine + D-Ribose 5-phosphate	5'-Inosinate phosphoribohydrolase
R01130	IMP + NAD+ + H2O <=> Xanthosine 5'-phosphate + NADH + H+	IMP:NAD+ oxidoreductase
R01131	ATP + Inosine <=> ADP + IMP	ATP:inosine 5'-phosphotransferase
R01132	IMP + Diphosphate <=> Hypoxanthine + 5-Phospho-alpha-D-ribose 1-diphosphate	IMP:diphosphate phospho-D-ribosyltransferase
R01134	IMP + Ammonia + NADP+ <=> GMP + NADPH + H+	inosine-5'-phosphate:NADP+ oxidoreductase (aminating)
R01135	GTP + IMP + L-Aspartate <=> GDP + Orthophosphate + N6-(1,2-Dicarboxyethyl)-AMP	IMP:L-aspartate ligase (GDP-forming)

Table of KEGG human pathways containing IMP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	9
hsa00250	Alanine, aspartate and glutamate metabolism	1
hsa01100	Metabolic pathways	1